N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide

C36H49F3N6O7 — CID 158508030

IUPACN-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
SMILESCCCN(Cc1ccc(C(=O)CN)cc1)C(=O)N1CCOCC1.CCCN(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H24F3N3O4.C17H25N3O3/c1-2-7-25(18(28)24-8-10-29-11-9-24)13-14-3-5-15(6-4-14)16(26)12-23-17(27)19(20,21)22;1-2-7-20(17(22)19-8-10-23-11-9-19)13-14-3-5-15(6-4-14)16(21)12-18/h3-6H,2,7-13H2,1H3,(H,23,27);3-6H,2,7-13,18H2,1H3
InChIKeyHKRUXZFDCLCXTE-UHFFFAOYSA-N
MW734.82 g/mol
LogP3.70
Rot. Bonds13

About N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 158508030) has the molecular formula C36H49F3N6O7 and a molecular weight of 734.82 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
PubChem CID158508030
Molecular FormulaC36H49F3N6O7
Molecular Weight734.82 g/mol
Exact Mass734.36
IUPAC NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
SMILESCCCN(Cc1ccc(C(=O)CN)cc1)C(=O)N1CCOCC1.CCCN(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H24F3N3O4.C17H25N3O3/c1-2-7-25(18(28)24-8-10-29-11-9-24)13-14-3-5-15(6-4-14)16(26)12-23-17(27)19(20,21)22;1-2-7-20(17(22)19-8-10-23-11-9-19)13-14-3-5-15(6-4-14)16(21)12-18/h3-6H,2,7-13H2,1H3,(H,23,27);3-6H,2,7-13,18H2,1H3
InChIKeyHKRUXZFDCLCXTE-UHFFFAOYSA-N
XLogP3.70
TPSA154.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500734.82
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

CID 10794780
CID 10794780
Unk-Val-DL-Pip-DL-Val-CF2CF3
CID 11802328
(2S)-1-[(2S)-3-Methyl-2-[[4-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]benzoyl]amino]butanoyl]-N-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 44360132
3-morpholin-4-yl-4-[[4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 5308218
N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)benzamide
CID 2830321
N-{1-(Morpholin-4-ylcarbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl}benzenecarboxamide
CID 66701371
N-{1-[(3-Oxopiperazin-1-yl)carbonyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl}benzenecarboxamide
CID 66761604
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 44411787
N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 155528474
4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-methyl]-piperidin-3-yl}-benzamide
CID 44461781
N-benzyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 53384015
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CID 134800787

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide (CID 158508030) is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide is CCCN(Cc1ccc(C(=O)CN)cc1)C(=O)N1CCOCC1.CCCN(Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is HKRUXZFDCLCXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O4.C17H25N3O3/c1-2-7-25(18(28)24-8-10-29-11-9-24)13-14-3-5-15(6-4-14)16(26)12-23-17(27)19(20,21)22;1-2-7-20(17(22)19-8-10-23-11-9-19)13-14-3-5-15(6-4-14)16(21)12-18/h3-6H,2,7-13H2,1H3,(H,23,27);3-6H,2,7-13,18H2,1H3.
What are the key properties of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 734.82 g/mol, XLogP of 3.70, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-propylmorpholine-4-carboxamide;N-propyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 158508030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).